Molecule card · MolClass #51407
14744710
14744710: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14744710Mitochondrial Fusion · compound_name
- MolClass ID
- 51407
- InChIKey
- GBRAWNPMQJCKCB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)CNC(=O)CCNC(=O)c2ccco2
- Standard InChI
- InChI=1S/C16H18N2O3/c1-12-4-6-13(7-5-12)11-18-15(19)8-9-17-16(20)14-3-2-10-21-14/h2-7,10H,8-9,11H2,1H3,(H,17,20)(H,18,19)
- Stored Murcko scaffold
- o1cccc1[CH]NCC[CH]NCc2ccccc2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.326 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.604
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 14744710